1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea

C12H14N4O3 — CID 47248167

IUPAC1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea
SMILESCOc1cc(CNC(=O)Nc2cn[nH]c2)ccc1O
InChIInChI=1S/C12H14N4O3/c1-19-11-4-8(2-3-10(11)17)5-13-12(18)16-9-6-14-15-7-9/h2-4,6-7,17H,5H2,1H3,(H,14,15)(H2,13,16,18)
InChIKeyQTJABDQOJCWBFC-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.45
Rot. Bonds4

About 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea

1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 47248167) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID47248167
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea
SMILESCOc1cc(CNC(=O)Nc2cn[nH]c2)ccc1O
InChIInChI=1S/C12H14N4O3/c1-19-11-4-8(2-3-10(11)17)5-13-12(18)16-9-6-14-15-7-9/h2-4,6-7,17H,5H2,1H3,(H,14,15)(H2,13,16,18)
InChIKeyQTJABDQOJCWBFC-UHFFFAOYSA-N
XLogP1.45
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylsulfonylphenyl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47252542
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid
CID 107209397
1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47248492
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38167581
2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide
CID 38216970
1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea
CID 61347792
1-(3H-benzimidazol-5-yl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 25056225
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 66805144
1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea
CID 110492414
1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38202852
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea (CID 47248167) is 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea is COc1cc(CNC(=O)Nc2cn[nH]c2)ccc1O.
What is the InChIKey of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is QTJABDQOJCWBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-19-11-4-8(2-3-10(11)17)5-13-12(18)16-9-6-14-15-7-9/h2-4,6-7,17H,5H2,1H3,(H,14,15)(H2,13,16,18).
What are the key properties of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea?
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 262.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 47248167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).